3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid

C15H15N3O3 — CID 104614148

IUPAC3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cccc2nccnc12
InChIInChI=1S/C15H15N3O3/c19-14(18-10-5-4-9(8-10)15(20)21)11-2-1-3-12-13(11)17-7-6-16-12/h1-3,6-7,9-10H,4-5,8H2,(H,18,19)(H,20,21)
InChIKeyOTOJQPMCLNGAJK-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.61
Rot. Bonds3

About 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid

3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 104614148) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID104614148
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cccc2nccnc12
InChIInChI=1S/C15H15N3O3/c19-14(18-10-5-4-9(8-10)15(20)21)11-2-1-3-12-13(11)17-7-6-16-12/h1-3,6-7,9-10H,4-5,8H2,(H,18,19)(H,20,21)
InChIKeyOTOJQPMCLNGAJK-UHFFFAOYSA-N
XLogP1.61
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide
CID 104615428
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
cis-(1R,3S)-3-[(3-aminopyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678525

Frequently Asked Questions

What is the IUPAC name of 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid (CID 104614148) is 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1cccc2nccnc12.
What is the InChIKey of 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is OTOJQPMCLNGAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(18-10-5-4-9(8-10)15(20)21)11-2-1-3-12-13(11)17-7-6-16-12/h1-3,6-7,9-10H,4-5,8H2,(H,18,19)(H,20,21).
What are the key properties of 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid?
3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104614148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).